124174

Source:http://linkedlifedata.com/resource/chembl/compound/124174

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C10H11N5O3/c16-3-4-18-6-14-5-12-7-8(14)13-10-11-1-2-15(10)9(7)17/h1-2,5,16-17H,3-4,6H2
chemicalCompound:standardIn...	KZOKJEZZKNABNK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OCCOCn1cnc2c(O)n3ccnc3nc12
chemicalCompound:molecularF...	C10 H11 N5 O3
chemicalCompound:moleculeId	124174
chemicalCompound:mwFreebase	249.226
chemicalCompound:alogp	-0.285
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	-4.554
chemicalCompound:acdLogP	-1.387
chemicalCompound:acdLogD	-4.029
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	249.226
chemicalCompound:acdMostBpk...	8.394
chemicalCompound:chemblId	CHEMBL307860
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224174
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:583156, activity:583157, activity:583158, activity:583159, activity:583160, activity:583161, activity:583162, activity:583163, activity:583164, activity:583165, activity:583166, activity:583167, activity:583168, activity:583169, activity:583170, activity:583171, activity:583172, activity:583173, activity:1099103, activity:1099104, activity:1099105, activity:1099106, activity:1099107, activity:1099108, activity:1099109, activity:1099110, activity:1099111